N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine

C15H25FN2 — CID 62644105

IUPACN'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(C)N(C)CCC(NC)c1ccccc1F
InChIInChI=1S/C15H25FN2/c1-5-12(2)18(4)11-10-15(17-3)13-8-6-7-9-14(13)16/h6-9,12,15,17H,5,10-11H2,1-4H3
InChIKeyKWGRBCZSLJNOSA-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.21
Rot. Bonds7

About N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine

N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 62644105) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID62644105
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(C)N(C)CCC(NC)c1ccccc1F
InChIInChI=1S/C15H25FN2/c1-5-12(2)18(4)11-10-15(17-3)13-8-6-7-9-14(13)16/h6-9,12,15,17H,5,10-11H2,1-4H3
InChIKeyKWGRBCZSLJNOSA-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol
CID 62645074
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644486
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62643860
N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62644533
1-(2-fluorophenyl)-N-methylpentan-1-amine
CID 63083903
N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine
CID 55099247
N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112664920
1-(2-bromophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112665006
1-(2-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645349
N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine
CID 62628726
3-(2-fluorophenyl)-3-(methylamino)propanenitrile
CID 116955204
1-(2-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025147

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine (CID 62644105) is N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine is CCC(C)N(C)CCC(NC)c1ccccc1F.
What is the InChIKey of N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is KWGRBCZSLJNOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-12(2)18(4)11-10-15(17-3)13-8-6-7-9-14(13)16/h6-9,12,15,17H,5,10-11H2,1-4H3.
What are the key properties of N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine?
N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62644105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).